SCHEMBL16467889

SCHEMBL16467889

COc1cccc(CCN(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC2A1 P11166 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAOB P27338 2/20 0.40
LMNA P02545 2/20 0.40
AOC3 Q16853 1/20 0.40
ALOX5 P09917 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
FFAR1 O14842 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16467913 0.91 ALDH1A1 (0.48) HTTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL16468420 0.87 L3MBTL1 (0.43) HTTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL16467924 0.87 L3MBTL1 (0.43) HTTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL16467893 0.86 CHRNB2 (0.49) HTTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL16468174 0.86 L3MBTL1 (0.47) HTTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL16467928 0.86 KMT2A (0.46) HTTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL16467904 0.83 MAPT (0.48) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2596250 0.83 ALDH1A1 (0.42) HTTSMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL16468152 0.83 KMT2A (0.48) HTTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL16467938 0.81 L3MBTL1 (0.41) HTTSMN1; SMN2L3MBTL1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES ADAMED SP. ZO.O (PL) 2015-02-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES AQP4, BCL6, STS HTT 659/4885SMN1; SMN2 193/4885L3MBTL1 1649/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.